| 脂肪族胺、醇和醚气相碱性的通用表达式 |
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| 引用本文： | 曹晨忠.脂肪族胺、醇和醚气相碱性的通用表达式[J].有机化学,2000,20(2):258-262. |
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| 作者姓名： | 曹晨忠 |
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| 作者单位： | 湘潭师范学院化学系,湘潭,411100 |
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| 摘 要： | 脂肪族胺、醇和醚气相质子亲合能(PA)与N、O原子所带电荷(qx)、烷基的极化效应指数(PEI)以及N、O原子的sp^3杂化轨道能量Ex(sp^3)]的并系可以表示为：PA(kj/mol)=2383.5547-1060.3351qx+59.4247∑PEI-117.0142Ex(sp^3)。上式较好地表达了脂肪族胺、醇和醚气相碱性的共同规律。
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| 关 键 词： | 脂肪族胺 醇 醚 极化效应 质子亲合能 |
| 修稿时间： | 1998-06-07 |
The general expression of gas phase basicity of aliphatic amine, alcohol and ether |
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| CAO Chen-Zhong.The general expression of gas phase basicity of aliphatic amine, alcohol and ether[J].Chinese Journal of Organic Chemistry,2000,20(2):258-262. |
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| Authors: | CAO Chen-Zhong |
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| Institution: | CAO Chen-Zhong
(Department of Chemistry, Xiangtan Teachers' College, Xiangtan 411100) |
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| Abstract: | In this paper, the gas phase proton affinity ( PA ) of aliphatic amines, alcohols and ethers is expressed as a function of the atomic charge qX(X = N or O atom) , the Polarizability Effect Index ( PEI) of alkyl group and the hybrid sp3 orbital energy EX(sp3) (X= N or O atom): PA(kJ/mol) = 2383.5547 - 1060.3351qX 59.4247PEI - 117.0142EX(sp3) . This novel general formula can better elucidate the change rule of PA for the title compounds. |
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| Keywords: | amine alcohol ether proton affinity energy polarizability effect index |
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